5-Caffeoylquinic acid
Compound with spectra: 1 MS (GC)
| SpectraBase Compound ID | CuTdwDEJ18l |
|---|---|
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1 |
| InChIKey | CWVRJTMFETXNAD-PNQZTZQXSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | CWVRJTMFETXNAD-NXLLHMKUSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SFA-102-4212-Table 1-2 |
Chlorogenic acid
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
3-CAFFEOYL-MUCO-QUINIC-ACID;1S-3-BETA-O-TRANS-CAFFEOYL-1-ALPHA,4-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
3-O-CAFFEOYLQUINICO-ACID
Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]
Chlorogenic acid
CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
Chlorogenic acid
Chlorogenic acid, anion
(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
2,4/3,5-DICAFFEOYL-GLUCARIC-ACID
1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]-
BREVIPOLIDE_D
PARA-HYDROXYPHENYL-6-O-TRANS-CAFFEOYL-BETA-D-ALLOPYRANOSIDE
DUNALIANOSIDE-A;PARA-HYDROXYPHENYL-6'-O-CIS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
This compound is available in the following databases:
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.